N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

C16H23N3O4S — CID 131639126

IUPACN-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1
InChIInChI=1S/C16H23N3O4S/c1-24(21,22)18-13-5-11-23-16(12-13)6-9-19(10-7-16)15(20)14-4-2-3-8-17-14/h2-4,8,13,18H,5-7,9-12H2,1H3
InChIKeyKPBOXTWNQOWZND-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.78
Rot. Bonds3

About N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide

N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (PubChem CID 131639126) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
PubChem CID131639126
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1
InChIInChI=1S/C16H23N3O4S/c1-24(21,22)18-13-5-11-23-16(12-13)6-9-19(10-7-16)15(20)14-4-2-3-8-17-14/h2-4,8,13,18H,5-7,9-12H2,1H3
InChIKeyKPBOXTWNQOWZND-UHFFFAOYSA-N
XLogP0.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124912808
N-[[(7S)-2-(pyridine-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783221
[3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 131650153
N-[(5R,9R)-2-(2-thiophen-2-ylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420129
3-methylsulfonyl-1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 131690057
N-[9-(1-methylcyclohex-3-ene-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131687021
N-[(4R)-9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98894396
N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97423428
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
(3-methylfuran-2-yl)-[(4R)-4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 98894349
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946

Frequently Asked Questions

What is the IUPAC name of N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The IUPAC name of N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide (CID 131639126) is N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The canonical SMILES for N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCOC2(CCN(C(=O)c3ccccn3)CC2)C1.
What is the InChIKey of N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
The InChIKey is KPBOXTWNQOWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-24(21,22)18-13-5-11-23-16(12-13)6-9-19(10-7-16)15(20)14-4-2-3-8-17-14/h2-4,8,13,18H,5-7,9-12H2,1H3.
What are the key properties of N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide?
N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide is sourced from PubChem (CID 131639126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).